3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea

Systemtic Name: 3-[4-(2-fluoranyl-4-nitro-phenoxy)pyridin-2-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea Openeye Name: 3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-1-[1-(1-methylazetidin-3-yl)-4-piperidyl]urea CAS Name: 3-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-1-methyl-1-[1-(1-methyl-3-azetidinyl)-4-piperidinyl]urea IUPAC Name: 3-[4-(2-fluoro-4-nitrophenoxy)pyridin-2-yl]-1-methyl-1-[1-(1-methylazetidin-3-yl)piperidin-4-yl]urea Traditional Name: 3-[4-(2-fluoro-4-nitro-phenoxy)-2-pyridyl]-1-methyl-1-[1-(1-methylazetidin-3-yl)-4-piperidyl]urea Formula: C22H27FN6O4 MolecularWeight: 458.485983

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C1)N2CCC(CC2)N(C)C(=O)NC3=NC=CC(=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])F

Isomeric SMILES

CN1CC(C1)N2CCC(CC2)N(C)C(=O)NC3=NC=CC(=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H27FN6O4/c1-26-13-17(14-26)28-9-6-15(7-10-28)27(2)22(30)25-21-12-18(5-8-24-21)33-20-4-3-16(29(31)32)11-19(20)23/h3-5,8,11-12,15,17H,6-7,9-10,13-14H2,1-2H3,(H,24,25,30)